Raw HPLC-MS/MS data for "Oxidative stress is inhibited by plant-based supplements: a quantitative lipidomic analysis of antioxidant activity and lipid compositional change"

Published: 25 October 2022| Version 1 | DOI: 10.17632/bxv6zyv2xz.1


Data are the raw data for our targeted lipidomics study testing the antioxidant properties of several dietary supplements derived from plant extracts against a complex lipid mixture. Five supplements were tested for antioxidant activity these contained grape seed extract, hawthorn extract, pine bark extract, milk thistle extract, and turmeric extract. Overall the data show that most of the supplements had an antioxidant effect on the phosphatidylethanolamine lipid class but grape seed extract was effective across most of the 15 lipid classes and circa 400 hundred lipid species identified. Experiments were performed using a liposomal oxidation assay with the radical peroxidation agent 2,2′-Azobis(2-methylpropionamidine) dihydrochloride (AAPH) in the presence and absence of supplement at 0, 6 and 24 hrs post oxidation initiation. Lipidomic data were obtained using high pressure liquid chromatography mass spectrometry (HPLC-MS). Reanalysis is possible using a number of metabolomic or lipidomic platforms and these data may prove useful as the field of oxidative lipidomics develops, since we were unable to reliably identify a significant number of chromatographic features.


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Supplements used were Best Naturals Grape Seed Extract 400 mg Tablets (Best Nutritionals LLC, NJ, US), Milk Thistle 3500mg Tablets High Strength Silymarin (Natural Foundation Supplements, supplied by HD Supplements ltd. Oxford, UK), Super Strength Hawthorn Berry Extract Capsules (100% Natural Co., supplied by Premium Leisure Distribution, Bristol, UK). Simply Pure Organic Turmeric Capsules x 90, 600mg, (Simply Pure Ltd, Norfolk, UK), Pine Bark Extract 400mg, 95% Proanthocyanidins (Horbaach Nutritionals, supplied by Piping Rock UK Limited, London, UK). These were incorporated into liposomes made from bovine polar lipid extract (Avanti Polar Lipids) and oxidation was initiated with 2,2′-Azobis(2-methylpropionamidine) dihydrochloride (AAPH), at 37 °C. At 0, 6 and 24hrs post initiation samples of the oxidation assay were extracted using the Bligh Dyer lipid extraction. Lipidomic data were obtained on a hybrid quadrupole Orbitrap mass spectrometer (Q Exactive, ThermoScientific) linked to an ultra-high performance LC system (Ultimate 3000, ThermoScientific) equipped with a reverse phase ACQUITY UPLC HSS T3 Column (100Å, 1.8 µm, 2.1 mm X 100 mm, Waters Corporation), held at 40°C in the column oven. Separation was achieved at a flow rate of 200 µL/min using solvent A; (60:40 v/v); water (Hypergrade for LC-MS, LiChrosolv®, MerckKGaA): acetonitrile (MSsuprasolve®, Sigma Aldrich), 10 mM ammonium formate (99.995%, Sigma Aldrich). And Solvent B; (90:10) isopropanol (Optima™LC/MS Grade, Fisher Scientific): acetonitrile, 10 mM ammonium formate. Lipid files were converted from Thermofisher (.RAW) to mzXML files using MSConvert, Proteowizard, chromatographic features were identified using MZMine and lipid identification were made using Lipidex. Full experimental details are available through the linked publications.


University of Brighton


Lipidomics, Liposome, Model Lipid Bilayer, Oxidative Stress, Lipid Peroxidation, Lipid Oxidation, Antioxidant Study